SCHEMBL974642

SCHEMBL974642

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
NFKB1 P19838 1/20 1.00
THPO P40225 1/20 1.00
GMNN O75496 1/20 0.94
LMNA P02545 1/20 0.94
MAPT P10636 1/20 0.94
PMP22 Q01453 1/20 0.94
SMN1; SMN2 Q16637 1/20 0.94
TDP1 Q9NUW8 1/20 0.94
ANPEP P15144 7/20 0.50
ERAP1 Q9NZ08 2/20 0.50
ERAP2 Q6P179 1/20 0.50
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC7A5 Q01650 1/20 0.35
LAP3 P28838 3/20 0.33
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15980655 0.82
SCHEMBL56311 0.77 ANPEP (0.65) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL9767481 0.76 TSHR (0.61) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL9767473 0.76 TSHR (0.61) TSHRCYP3A4CYP2D6NFKB1THPO
Hydrochloric Acid SCHEMBL56763 0.74 GMNN (0.63) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL10343746 0.74 ANPEP (0.61) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL27395315 0.73
SCHEMBL28769846 0.73
SCHEMBL859533 0.71 TSHR (0.54) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL19067097 0.69 CYP3A4 (0.52) TSHRCYP3A4CYP2D6NFKB1THPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181206-B2 Dual-acting oxazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-11-10 US disclosed
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-07-10 US disclosed
US-8598170-B2 Dual-acting oxazole antihypertensive agents THERAVANCE, INC. (US) 2013-12-03 US disclosed
EP-2456762-B1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2013-10-16 EP disclosed
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-08-01 US disclosed
US-8372984-B2 Dual-acting oxazole antihypertensive agents THERAVANCE, INC. (US) 2013-02-12 US disclosed
US-20110021527-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021527-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN TSHR 276/4885CYP3A4 1539/4885CYP2D6 987/4885
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN TSHR 276/4885CYP3A4 1539/4885CYP2D6 987/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN TSHR 276/4885CYP3A4 1539/4885CYP2D6 987/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.